Compound Detail
CHEMBL490808
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Basic Information
| ChEMBL ID | CHEMBL490808 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SSAKQQDQKOXZIY-ZFXMFRGYSA-N |
| Parent Compound | CHEMBL1187112 |
| Active Moiety | CHEMBL1187112 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
265.3
MW (Da)
4.35
ALogP
3
HBA
2
HBD
45.4
PSA (Ų)
0.74
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.67
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amyloid-beta precursor protein CHEMBL2487 | IC50 | 5.67 | 5.67 | 2160.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amyloid-beta precursor protein | IC50 | = | 2160.0 | nM | 5.67 | Inhibition of amyloid beta42 fibril formation by thioflavin T formation | 18793854 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18793854 | 10.1016/j.bmcl.2008.08.111 | Amyloid-beta precursor protein | 1 |
Data from ChEMBL 36 via Core Engine